5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one

C15H24N4O2 — CID 137019825

IUPAC5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCCC(N)C1
InChIInChI=1S/C15H24N4O2/c1-9-11(12(20)18-14(17-9)15(2,3)4)13(21)19-7-5-6-10(16)8-19/h10H,5-8,16H2,1-4H3,(H,17,18,20)
InChIKeyGRKRIXAFYDEELL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.94
Rot. Bonds1

About 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one

5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 137019825) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
PubChem CID137019825
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCCC(N)C1
InChIInChI=1S/C15H24N4O2/c1-9-11(12(20)18-14(17-9)15(2,3)4)13(21)19-7-5-6-10(16)8-19/h10H,5-8,16H2,1-4H3,(H,17,18,20)
InChIKeyGRKRIXAFYDEELL-UHFFFAOYSA-N
XLogP0.94
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one (CID 137019825) is 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCCC(N)C1.
What is the InChIKey of 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GRKRIXAFYDEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9-11(12(20)18-14(17-9)15(2,3)4)13(21)19-7-5-6-10(16)8-19/h10H,5-8,16H2,1-4H3,(H,17,18,20).
What are the key properties of 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidine-1-carbonyl)-2-tert-butyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).